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(2-methyl-5-nitrophenyl)methanol

(2-methyl-5-nitrophenyl)methanol

CAS: 22474-47-1

Formula: C8H9NO3

SMILES: CC1=CC=C(C=C1CO)[N+]([O-])=O

IUPAC: (2-methyl-5-nitrophenyl)methanol

InChI: InChI=1S/C8H9NO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-4,10H,5H2,1H3

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 167.058243154
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IBQRNQSJJZLSTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.24
Topological Polar Surface Area 63.37
Polarizability 16.44
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 22474-47-1 $11.39-$139.73$11.39$16.56$40.37$139.73
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